3-(3-methoxypropyl)-N-(1-methylsulfonylpiperidin-4-yl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(3-methoxypropyl)-N-(1-methylsulfonylpiperidin-4-yl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(3-methoxypropyl)-N-(1-methylsulfonyl-4-piperidyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3-methoxypropyl)-N-(1-methylsulfonyl-4-piperidinyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3-methoxypropyl)-N-(1-methylsulfonylpiperidin-4-yl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-(1-mesyl-4-piperidyl)-3-(3-methoxypropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C19H26N4O5S2 MolecularWeight: 454.56354

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCN(CC3)S(=O)(=O)C)NC1=S

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCN(CC3)S(=O)(=O)C)NC1=S

InChI

InChI=1S/C19H26N4O5S2/c1-28-11-3-8-23-18(25)15-5-4-13(12-16(15)21-19(23)29)17(24)20-14-6-9-22(10-7-14)30(2,26)27/h4-5,12,14H,3,6-11H2,1-2H3,(H,20,24)(H,21,29)